CID 51480

Naphthopyrin

Structural Information

Molecular Formula
C21H19N3O
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C21H19N3O/c1-15-20(21(25)24(23(15)2)19-10-4-3-5-11-19)22-18-13-12-16-8-6-7-9-17(16)14-18/h3-14,22H,1-2H3
InChIKey
JYIFZPNXQAAJAR-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-(naphthalen-2-ylamino)-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1528 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16008 179.2
[M+Na]+ 352.14202 197.3
[M+NH4]+ 347.18662 187.9
[M+K]+ 368.11596 189.2
[M-H]- 328.14552 186.6
[M+Na-2H]- 350.12747 190.5
[M]+ 329.15225 184.2
[M]- 329.15335 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.